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Understanding and designing biomolecules, such as proteins and small molecules, is central to advancing drug discovery, synthetic biology and enzyme engineering. Recent breakthroughs in artificial intelligence have revolutionized…

Computation and Language · Computer Science 2025-07-28 Xiang Zhuang , Keyan Ding , Tianwen Lyu , Yinuo Jiang , Xiaotong Li , Zhuoyi Xiang , Zeyuan Wang , Ming Qin , Kehua Feng , Jike Wang , Qiang Zhang , Huajun Chen

The development of large language models and multi-modal models has enabled the appealing idea of generating novel molecules from text descriptions. Generative modeling would shift the paradigm from relying on large-scale chemical screening…

Machine Learning · Computer Science 2025-08-25 Yifan Deng , Spencer S. Ericksen , Anthony Gitter

In this work, we propose a simple transformer-based baseline for multimodal molecular representation learning, integrating three distinct modalities: SMILES strings, 2D graph representations, and 3D conformers of molecules. A key aspect of…

Machine Learning · Computer Science 2024-10-25 Andrei Manolache , Dragos Tantaru , Mathias Niepert

3D spatial understanding is essential in real-world applications such as robotics, autonomous vehicles, virtual reality, and medical imaging. Recently, Large Language Models (LLMs), having demonstrated remarkable success across various…

Computer Vision and Pattern Recognition · Computer Science 2026-03-23 Jirong Zha , Yuxuan Fan , Xiao Yang , Chen Gao , Xinlei Chen

Large Language Models (LLMs) have demonstrated remarkable generalization and instruction-following capabilities with instruction tuning. The advancements in LLMs and instruction tuning have led to the development of Large Vision-Language…

Machine Learning · Computer Science 2024-11-05 Jinyoung Park , Minseong Bae , Dohwan Ko , Hyunwoo J. Kim

We present Large Sign Language Models (LSLM), a novel framework for translating 3D American Sign Language (ASL) by leveraging Large Language Models (LLMs) as the backbone, which can benefit hearing-impaired individuals' virtual…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 Sen Zhang , Xiaoxiao He , Di Liu , Zhaoyang Xia , Mingyu Zhao , Chaowei Tan , Vivian Li , Bo Liu , Dimitris N. Metaxas , Mubbasir Kapadia

Prior studies on 3D scene understanding have primarily developed specialized models for specific tasks or required task-specific fine-tuning. In this study, we propose Grounded 3D-LLM, which explores the potential of 3D large multi-modal…

Computer Vision and Pattern Recognition · Computer Science 2024-11-19 Yilun Chen , Shuai Yang , Haifeng Huang , Tai Wang , Runsen Xu , Ruiyuan Lyu , Dahua Lin , Jiangmiao Pang

Creating machines capable of understanding the world in 3D is essential in assisting designers that build and edit 3D environments and robots navigating and interacting within a three-dimensional space. Inspired by advances in language and…

Computer Vision and Pattern Recognition · Computer Science 2026-01-07 Aadarsh Sahoo , Vansh Tibrewal , Georgia Gkioxari

Vision-and-Language Navigation (VLN) is a core task where embodied agents leverage their spatial mobility to navigate in 3D environments toward designated destinations based on natural language instructions. Recently, video-language large…

Computer Vision and Pattern Recognition · Computer Science 2025-05-19 Zihan Wang , Seungjun Lee , Gim Hee Lee

Large Language Models (LLMs) have achieved remarkable success in source code understanding, yet as software systems grow in scale, computational efficiency has become a critical bottleneck. Currently, these models rely on a text-based…

Computation and Language · Computer Science 2026-04-29 Yuling Shi , Chaoxiang Xie , Zhensu Sun , Yeheng Chen , Chenxu Zhang , Longfei Yun , Chengcheng Wan , Hongyu Zhang , David Lo , Xiaodong Gu

The advent of Large Language Models (LLMs) has significantly reshaped the trajectory of the AI revolution. Nevertheless, these LLMs exhibit a notable limitation, as they are primarily adept at processing textual information. To address this…

Computer Vision and Pattern Recognition · Computer Science 2025-10-15 Akash Ghosh , Arkadeep Acharya , Sriparna Saha , Vinija Jain , Aman Chadha

Monocular depth estimation is a critical function in computer vision applications. This paper shows that large language models (LLMs) can effectively interpret depth with minimal supervision, using efficient resource utilization and a…

Computer Vision and Pattern Recognition · Computer Science 2024-09-04 Zhongyi Xia , Tianzhao Wu

Large Language Models (LLMs) represent a class of deep learning models adept at understanding natural language and generating coherent responses to various prompts or queries. These models far exceed the complexity of conventional neural…

Machine Learning · Computer Science 2024-12-05 Minghao Shao , Abdul Basit , Ramesh Karri , Muhammad Shafique

The practical deployment of medical vision-language models (Med-VLMs) necessitates seamless integration of textual data with diverse visual modalities, including 2D/3D images and videos, yet existing models typically employ separate…

Computation and Language · Computer Science 2025-04-22 Songtao Jiang , Yuan Wang , Sibo Song , Yan Zhang , Zijie Meng , Bohan Lei , Jian Wu , Jimeng Sun , Zuozhu Liu

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

Multimodal large language models (MLLMs) enhance the capabilities of standard large language models by integrating and processing data from multiple modalities, including text, vision, audio, video, and 3D environments. Data plays a pivotal…

Artificial Intelligence · Computer Science 2024-07-19 Tianyi Bai , Hao Liang , Binwang Wan , Yanran Xu , Xi Li , Shiyu Li , Ling Yang , Bozhou Li , Yifan Wang , Bin Cui , Ping Huang , Jiulong Shan , Conghui He , Binhang Yuan , Wentao Zhang

3D vision and spatial reasoning have long been recognized as preferable for accurately perceiving our three-dimensional world, especially when compared with traditional visual reasoning based on 2D images. Due to the difficulties in…

Computation and Language · Computer Science 2025-01-29 Yueen Ma , Yuzheng Zhuang , Jianye Hao , Irwin King

Organic reaction, the foundation of modern chemical industry, is crucial for new material development and drug discovery. However, deciphering reaction mechanisms and modeling multi-molecular relationships remain formidable challenges due…

Chemical Physics · Physics 2025-08-13 Lirong Wu , Junjie Wang , Zhifeng Gao , Xiaohong Ji , Rong Zhu , Xinyu Li , Linfeng Zhang , Guolin Ke , Weinan E

Scaling large multimodal models (LMMs) to 3D understanding poses unique challenges: point cloud data is sparse and irregular, existing models rely on fragmented architectures with modality-specific encoders, and training pipelines often…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Yongyuan Liang , Xiyao Wang , Yuanchen Ju , Jianwei Yang , Furong Huang